Structure of PDB 4rhh Chain D Binding Site BS01

Receptor Information
>4rhh Chain D (length=693) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATNLFFNAHHSPVGAFASFTLGFPGKSGGLDLELARPPRQNVFIGVESPH
EPGLYHILPFAETENPDPNPQKPNILIPFAKERIEREFRVATDTWKAGDL
TLTIYSPVKAVPDPETASEEELKLALVPAVIVEMTIDNTNGTRTRRAFFG
FEGTDPYTSMRRIDDTCPQLRGVGQGRILGIASKDEGVRSALHFSMEDIL
TATLEENWTFGLGKVGALIADVPAGEKKTYQFAVCFYRGGCVTAGMDASY
FYTRFFHNIEEVGLYALEQAEVLKEQAFRSNELIEKEWLSDDQKFMMAHA
IRSYYGNTQLLEHEGKPIWVVNGGEYRMMNTFDLTVDQLFFELKMNPWTV
KNVLDFYVERYSYEDRVRFPGDETEYPGGISFTHDMGVANTFSRPHYSSY
ELYGISGCFSHMTHEQLVNWVLCAAVYIEQTKDWAWRDRRLTILEQCLES
MVRRDHPDPEKRNGVMGLDSTRTMGGAEITTYDSLDVSLGQARNNLYLAG
KCWAAYVALEKLFRDVGKEELAALAREQAEKCAATIVSHVTEDGYIPAVM
GEGNDSKIIPAIEGLVFPYFTNCHEALREDGRFGDYIRALRQHLQYVLRE
GICLFPDGGWKISSTSNNSWLSKIYLCQFIARRILGWEWDEQGKRADAAH
VAWLTHPTLSIWSWSDQIIAGEISGSKYYPRGVTSILWLEEGE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4rhh Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rhh To be published
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D467 N475 V477
Binding residue
(residue number reindexed from 1)		D455 N463 V465
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0009044 xylan 1,4-beta-xylosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4rhh, PDBe:4rhh, PDBj:4rhh
PDBsum4rhh
PubMed
UniProtQ09LZ0

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